1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione

C15H10Cl2N2O2S — CID 2918561

IUPAC1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ccccn2)C(=O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N2O2S/c16-9-4-3-5-10(14(9)17)19-13(20)8-11(15(19)21)22-12-6-1-2-7-18-12/h1-7,11H,8H2
InChIKeyPKSMVUKHFWNIGK-UHFFFAOYSA-N
MW353.23 g/mol
LogP3.81
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione

1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione (PubChem CID 2918561) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
PubChem CID2918561
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ccccn2)C(=O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N2O2S/c16-9-4-3-5-10(14(9)17)19-13(20)8-11(15(19)21)22-12-6-1-2-7-18-12/h1-7,11H,8H2
InChIKeyPKSMVUKHFWNIGK-UHFFFAOYSA-N
XLogP3.81
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione (CID 2918561) is 1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione is O=C1CC(Sc2ccccn2)C(=O)N1c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The InChIKey is PKSMVUKHFWNIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c16-9-4-3-5-10(14(9)17)19-13(20)8-11(15(19)21)22-12-6-1-2-7-18-12/h1-7,11H,8H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione has a molecular weight of 353.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2918561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).